4-Fluoro-3-methylbenzonitrile

C₈H₆FNCAS 185147-08-4135.14 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₈H₆FN
Molar mass: 135.14 g/mol
Exact mass: 135.0484 Da
logP: 2.01Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

185147-08-4

SMILES

Cc1cc(C#N)ccc1F

InChIKey

ZMEAHKIIWJDJFT-UHFFFAOYSA-N

InChI

InChI=1S/C8H6FN/c1-6-4-7(5-10)2-3-8(6)9/h2-4H,1H3

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Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

Benzonitrile, 4-fluoro-3-methyl-

Work with 4-Fluoro-3-methylbenzonitrile

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,4-Dimethylbenzonitrile22884-95-364 % similar 3,4-Difluorobenzonitrile64248-62-064 % similar 3-Chloro-4-fluorobenzonitrile117482-84-556 % similar 3-Bromo-4-fluorobenzonitrile79630-23-256 % similar 4-Fluoro-3-methoxybenzonitrile243128-37-256 % similar 2-Fluoro-1,4-benzenedicarbonitrile1897-53-655 % similar 4-Fluoro-3-methylphenol452-70-052 % similar 4-Chloro-3-fluorobenzonitrile110888-15-852 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Fluoro-2-methylbenzonitrile147754-12-9 2-Fluorobenzeneacetonitrile326-62-5 7-Fluoro-1H-indole387-44-0 5-Fluoroindole399-52-0 4-Fluorobenzeneacetonitrile459-22-3 3-Fluorobenzeneacetonitrile501-00-8

Elsewhere

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